SCHEMBL5541260

SCHEMBL5541260

CCOCC=NNC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GAA P10253 6/20 0.38
POLB P06746 2/20 0.37
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MIF P14174 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
HTT P42858 2/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15534740 1.00 ALDH1A1 (0.39) ALDH1A1GAAPOLBCYP1A2KDM4E
SCHEMBL15534741 1.00 ALDH1A1 (0.39) ALDH1A1GAAPOLBCYP1A2KDM4E
SCHEMBL9276338 0.85 GAA (0.54) ALDH1A1GAAPOLBCYP1A2SMN1; SMN2
SCHEMBL3063339 0.71
SCHEMBL16196894 0.71
SCHEMBL3063335 0.71
SCHEMBL28946337 0.71 ALDH1A1 (0.36) ALDH1A1GAAPOLBCYP1A2SMN1; SMN2
SCHEMBL4656131 0.69 ALDH1A1 (0.37) ALDH1A1GAALMNAMGAMSI
SCHEMBL4117677 0.68 ASF1A (0.47) ALDH1A1CYP1A2KDM4ESMN1; SMN2MAPT
SCHEMBL5030160 0.68 ALDH1A1 (0.35) ALDH1A1GAAPOLBCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US disclosed
EP-1751131-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-14 EP disclosed
WO-2005085226-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-15 WO disclosed
EP-1485353-A1 NEW INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 EP disclosed
WO-2003076400-A1 NEW INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles APOB, PNLIP, LPL ALDH1A1 2700/4885GAA 656/4885POLB 2690/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.